Compound Identification
SMILES
CCCC(=O)C(=C\N(C)C)\C(=O)OCC
InChIKey
InChIKey=SJQPDMAJOTXKPI-HJWRWDBZSA-N
Formula
C11H19NO3
Mass
213.277
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Acryloyl compounds Enoate esters Enones Trialkylamines Amino acids and derivatives Ketones Enamines Monocarboxylic acids and derivatives Allylamines Organic oxides Aldehydes Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid derivative - Enamine - Allylamine - Monocarboxylic acid or derivatives - Aldehyde - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organonitrogen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available